I want to use Bloch wavefunction to do another calculation, not in vasp. How can I get the wavefuction? I wonder if VASP can output the Bloch wavefunction or not. How can change the style of WAVECAR into readable file, such as .txt files.
Any help is appreciated
How can I read WAVECAR
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hehui
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How can I read WAVECAR
Last edited by hehui on Wed May 23, 2007 2:15 pm, edited 1 time in total.
hhe
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admin
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How can I read WAVECAR
1) vasp does not write the Bloch functions, so there is no flag which you could set to have them written on some file.
2) not at all. all you can do is write a small program or tool to read WAVECAR and write it to some diffferent (readable) file.
2) not at all. all you can do is write a small program or tool to read WAVECAR and write it to some diffferent (readable) file.
Last edited by admin on Thu May 24, 2007 9:46 am, edited 1 time in total.
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kinyip
How can I read WAVECAR
Where can I find the information about the format of WAVECAR? I am thinking of writing a small program to convert WAVECAR to txt file, but I would like to know how data is stored. Thanks.
Last edited by kinyip on Tue Nov 06, 2007 2:29 am, edited 1 time in total.